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Level sets as progressing waves: an example for wake-free waves in every dimension

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The potential energy surface of a molecule can be decomposed into equipotential hypersurfaces of the level sets. It is a foliation. The main result is that the contours are the wave fronts of a certain hyperbolic partial differential equation, a wave equation. It is connected with the gradient lines, as well as with a corresponding eikonal equation. The energy seen as an additional coordinate plays the central role in this treatment. A solution of the wave equation can be a sharp front in the form of a delta distribution. We discuss a general Huygens' principle: there is no wake of the wave solution in every dimension.

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Journal of Mathematical Chemistry, 2013, vol. 52, num. 2, p. 654-664

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Articles publicats en revistes (Química Inorgànica i Orgànica)

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Level sets as progressing waves: an example for wake-free waves in every dimension